5-bromanyl-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-bromo-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]pyrimidine-4-carboxamide CAS Name: 5-bromo-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-bromo-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-bromo-N-[4-(4-methoxyphenyl)furazan-3-yl]pyrimidine-4-carboxamide Formula: C21H16BrN5O3S MolecularWeight: 498.35244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NON=C2NC(=O)C3=NC(=NC=C3Br)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NON=C2NC(=O)C3=NC(=NC=C3Br)SCC4=CC=CC=C4

InChI

InChI=1S/C21H16BrN5O3S/c1-29-15-9-7-14(8-10-15)17-19(27-30-26-17)25-20(28)18-16(22)11-23-21(24-18)31-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,25,27,28)